SCHEMBL9595684

SCHEMBL9595684

CNC(C)(C)COC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CYP2D6 P10635 2/20 0.46
HTT P42858 2/20 0.45
SCN1A P35498 3/20 0.44
SCN2A Q99250 3/20 0.44
SCN3A Q9NY46 3/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
CHRM3 P20309 1/20 0.44
SLC6A2 P23975 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9594241 0.80 HTT (0.44) LMNACYP2D6HTTSCN1ASCN2A
SCHEMBL9594297 0.77 SCN1A (0.47) LMNACYP2D6HTTSCN1ASCN2A
SCHEMBL6276844 0.73 MAPT (0.42) LMNACYP2D6HTTSCN1ASCN2A
Dimethylamine SCHEMBL29198789 0.72 HTT (0.55) LMNACYP2D6HTTSCN1ASCN2A
SCHEMBL11813722 0.72 SCN1A (0.46) LMNACYP2D6HTTSCN1ASCN2A
SCHEMBL13359839 0.71 CYP2D6 (0.50) LMNACYP2D6DRD3SMN1; SMN2
SCHEMBL3333230 0.69 SIGMAR1 (0.68) LMNACYP2D6HTTSCN1ASCN2A
SCHEMBL3992907 0.69 SCN1A (0.55) LMNACYP2D6HTTSCN1ASCN2A
SCHEMBL4667564 0.68 SCN1A (0.65) LMNACYP2D6HTTSCN1ASCN2A
Hydrochloric Acid SCHEMBL28100967 0.68 HTT (0.69) LMNACYP2D6HTTSCN1ASCN2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5192765-A Smooth muscle, bowel, bladder and airway diseases PFIZER INC. (US) 1993-03-09 US disclosed
EP-0365093-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER INC. (US) 1992-09-02 EP disclosed
EP-0438533-A1 MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1991-07-31 EP disclosed
WO-1990004583-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1990-05-03 WO disclosed
EP-0365093-A1 Muscarinic receptor antagonists PFIZER INC. (US) 1990-04-25 EP disclosed